4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C11H14F3NO3 — CID 51105884

IUPAC4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1(C)CC(=O)C(C(=O)NCC(F)(F)F)C(=O)C1
InChIInChI=1S/C11H14F3NO3/c1-10(2)3-6(16)8(7(17)4-10)9(18)15-5-11(12,13)14/h8H,3-5H2,1-2H3,(H,15,18)
InChIKeyBHXAFQRSFFOPST-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.24
Rot. Bonds2

About 4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 51105884) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID51105884
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1(C)CC(=O)C(C(=O)NCC(F)(F)F)C(=O)C1
InChIInChI=1S/C11H14F3NO3/c1-10(2)3-6(16)8(7(17)4-10)9(18)15-5-11(12,13)14/h8H,3-5H2,1-2H3,(H,15,18)
InChIKeyBHXAFQRSFFOPST-UHFFFAOYSA-N
XLogP1.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 51105884) is 4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1(C)CC(=O)C(C(=O)NCC(F)(F)F)C(=O)C1.
What is the InChIKey of 4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is BHXAFQRSFFOPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-10(2)3-6(16)8(7(17)4-10)9(18)15-5-11(12,13)14/h8H,3-5H2,1-2H3,(H,15,18).
What are the key properties of 4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 265.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,6-dioxo-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51105884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).